! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl   4.1626004616  -1.1594418968  -1.2823596471
Cl   3.4280395759   1.6120047964  -1.5640099470
Cl   5.3521574133   0.8074673537   0.4191984906
Cl  -4.1619232022   1.1508535589   1.2875487901
Cl  -5.3491783245  -0.8175053169  -0.4139292948
Cl  -3.4173525099  -1.6185171296   1.5638022592
O    3.2186338551   0.3153302512   3.4784184993
O   -3.2182029962  -0.3127450274  -3.4784377326
N    1.4037399073   0.2316297640   0.1395260985
N   -1.4024042359  -0.2292849787  -0.1423514534
N    3.0577023506  -0.8778696685   1.5443676939
N   -3.0631693876   0.8770228250  -1.5418593119
C   -0.8977916454   0.9975409458   0.4507755715
C    0.4445077897   0.7434088574   1.1064381953
C   -0.4436731369  -0.7404186909  -1.1097948683
C    0.8986236945  -0.9947782154  -0.4545044366
C    2.7332933079   0.2196789867   0.6673811786
C   -2.7328791368  -0.2208193945  -0.6672599131
C    3.8465735704   0.3564654166  -0.4072243160
C   -3.8430976366  -0.3628287477   0.4097998562
C    3.2511919664  -0.7353814138   2.8703034771
C   -3.2559395403   0.7364824558  -2.8682152043
H   -1.5711164164   1.3574084748   1.2257236906
H   -0.7842244446   1.8008715440  -0.2923746117
H   -0.8080498403  -1.6857927474  -1.5149670530
H   -0.3036939999  -0.0501658743  -1.9553336482
H    0.3042828035   0.0536380054   1.9522514300
H    0.8085070214   1.6891626275   1.5113887142
H    1.5718507019  -1.3537557518  -1.2299153348
H    0.7852996027  -1.7988191011   0.2879200002
H    2.8367909782   1.1299347196   1.2607076248
H   -2.8345661790  -1.1305256069  -1.2618631310
H    3.0837970588  -1.8167162121   1.1752090614
H   -3.0916574886   1.8151522291  -1.1712722276
H    3.4496868236  -1.6994613865   3.3584683195
H   -3.4548020936   1.7012979743  -3.3549367769
*